1-(3-chloro-4-methylanilino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]isoquinoline-4-carboxamide
Chemical Structure Depiction of
1-(3-chloro-4-methylanilino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]isoquinoline-4-carboxamide
1-(3-chloro-4-methylanilino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]isoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C066-1971 |
| Compound Name: | 1-(3-chloro-4-methylanilino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]isoquinoline-4-carboxamide |
| Molecular Weight: | 465.04 |
| Molecular Formula: | C27 H33 Cl N4 O |
| Smiles: | CC1CC(C)CN(CCCNC(c2cnc(c3ccccc23)Nc2ccc(C)c(c2)[Cl])=O)C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.3422 |
| logD: | 3.7953 |
| logSw: | -6.0855 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.761 |
| InChI Key: | TVVFOWLFMNOKAO-UHFFFAOYSA-N |